CID 46204204

Tert-butyl 4-chloro-3-formylpyridin-2-ylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₃

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1C=O)Cl

InChI

InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)

InChIKey

QWVXQYZWGQFXPU-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 256.06146 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.068736	154.6
[M+Na]+	279.050678	163.7
[M-H]-	255.054184	157.5
[M+NH4]+	274.095283	171.4
[M+K]+	295.024618	160.6
[M+H-H2O]+	239.058720	148.9
[M+HCOO]-	301.059661	172.3
[M+CH3COO]-	315.075311	194.5
[M+Na-2H]-	277.036126	159.9
[M]+	256.06091142	159.3
[M]-	256.06200858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe